NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1056 8.0549 114.0701 60.5703 33.8321 175.4612 2 L 4.4346 7.6637 118.2877 51.0883 43.3453 175.3837 3 S 4.5165 8.6341 118.3045 57.6677 66.2703 174.8212 4 E 4.2587 8.8506 122.4788 59.5862 29.1884 179.0795 5 G 3.6618 8.0887 105.2507 47.7735 0.0000 175.4398 6 E 3.9252 7.8947 120.9183 58.9667 29.4205 179.3932 7 W 4.3659 8.0714 118.9993 60.0027 29.1107 178.5272 8 Q 4.1842 8.3864 117.9891 59.0428 28.1909 179.0245 9 L 4.0992 7.8877 119.9086 57.6152 41.6642 179.6891 10 V 3.7473 7.9349 118.2464 66.2547 31.7051 178.2453 11 L 4.2656 8.6206 118.9716 57.6320 41.1455 179.0955 12 H 4.1998 8.3127 118.1921 59.3771 30.2943 177.5195 13 V 3.7129 7.9533 120.8184 64.4166 31.2709 178.0599 14 W 3.8393 8.5191 128.9522 60.0783 30.2885 177.7752 15 A 4.0159 7.8317 119.8962 54.9532 18.1239 179.4574 16 K 3.9163 7.6899 117.1500 59.3335 31.9979 179.7275 17 V 2.7810 6.9679 118.0935 65.5970 31.1689 177.4480 18 E 3.9146 7.5604 115.9120 58.0246 29.2973 178.4900 19 A 4.1880 7.4060 120.4032 53.8991 19.8910 177.6439 20 D 4.6280 7.7486 115.1738 52.3705 43.4389 175.6186 21 V 3.4262 7.8765 123.4797 65.5318 32.0439 176.5562 22 A 4.0546 8.0550 120.0715 55.2955 18.2837 179.7097 23 G 3.6942 8.4887 105.6065 45.5751 0.0000 175.6595 24 H 4.1588 8.3322 119.0176 58.4014 28.6705 178.1637 25 G 3.5820 8.3579 107.8492 47.7618 0.0000 175.8279 26 Q 3.8994 7.9938 120.3658 58.9192 28.7003 178.6178 27 D 4.3186 7.9041 119.7104 57.2546 40.7340 178.9867 28 I 3.6406 7.8181 120.3120 64.4150 37.1106 178.5541 29 L 3.4775 7.7078 119.7511 57.5554 41.3594 179.6636 30 I 3.6330 7.7219 119.9471 64.3231 36.9909 178.4473 31 R 3.8145 8.0894 119.7804 59.0956 29.8730 178.2617 32 L 3.8736 7.7363 120.2176 58.3763 42.2087 179.1481 33 F 4.5820 7.7815 117.6671 60.2646 38.5267 177.7224 34 K 3.9901 7.8595 118.7837 59.6121 32.1915 178.9385 35 S 4.2856 8.0108 114.1496 60.4127 64.1191 174.5871 36 H 4.7029 8.0629 118.7113 51.8267 29.9126 171.7092 37 P 4.8312 0.0000 0.0000 64.9798 30.9693 178.2677 38 E 4.1141 8.2464 117.2379 59.4411 29.6651 178.9956 39 T 3.7734 7.9962 110.7696 64.3273 68.7220 176.2691 40 L 3.8057 7.9673 123.0592 57.8013 41.8373 178.0579 41 E 4.2505 7.8219 116.2127 57.6282 29.4023 178.2411 42 K 4.3291 7.8912 118.0327 56.2240 32.5254 176.3615 43 F 4.5220 7.8524 118.8721 55.4511 39.9517 176.0595 44 D 4.3501 8.6750 126.0744 57.6792 40.7221 178.5052 45 R 4.2581 7.8146 114.0752 57.6601 30.0273 176.9748 46 F 5.2447 7.6361 117.2825 57.5354 39.6363 176.2571 47 K 4.5345 8.2051 118.3720 56.2973 33.7721 177.1384 48 H 4.6152 8.3498 113.3061 55.8909 28.7958 175.5451 49 L 4.5267 7.0703 120.1278 53.7704 40.4833 176.0366 50 K 4.2305 9.2354 124.4631 57.1646 33.0363 177.7793 51 T 4.6772 7.3405 108.3271 59.1519 72.8830 174.4439 52 E 3.8904 8.5540 121.0966 59.3663 29.6486 178.6055 53 A 3.9811 7.9294 120.3801 55.1713 18.5375 179.3456 54 E 3.9003 8.1590 117.1415 59.7703 29.3047 179.4518 55 M 3.9652 7.7729 117.8573 58.3196 32.0737 178.7321 56 K 4.0613 8.0343 117.5177 58.9410 32.3070 178.7563 57 A 4.3209 7.6543 119.6474 52.5589 18.8899 177.3351 58 S 4.1498 7.3628 113.2178 57.8314 62.6490 174.5264 59 E 4.0157 8.8017 129.1587 58.9323 29.4578 178.0193 60 D 4.3977 8.0503 117.9920 57.3206 41.4603 177.8075 61 L 3.6040 7.7846 120.8073 57.7799 42.0535 178.7762 62 K 3.8891 7.9250 119.4963 59.4190 32.1653 178.8764 63 K 3.9839 8.4459 119.1586 59.8071 31.9411 178.7545 64 H 4.4055 8.6028 118.5990 59.2089 29.7196 177.4166 65 G 3.6051 8.2830 107.5873 47.9057 0.0000 175.8116 66 V 3.6069 7.7585 120.6079 65.8999 31.6382 178.1693 67 T 3.9010 8.0119 115.5310 66.6045 68.3299 176.7588 68 V 3.6073 7.9540 120.0595 66.1559 31.6014 178.1563 69 L 4.2455 8.2282 118.9618 58.1166 41.4348 179.5912 70 T 3.9358 8.5393 116.0138 66.5979 68.4332 176.5549 71 A 3.9734 7.9568 122.1863 54.9766 18.3574 179.4539 72 L 3.6494 8.0295 119.0215 58.0555 42.1606 179.2701 73 G 3.1528 8.7401 105.8226 47.7199 0.0000 175.3427 74 A 3.9891 7.6838 122.0963 54.8309 18.6500 179.5881 75 I 3.7550 7.4346 117.6961 64.5382 37.2348 178.5582 76 L 3.9808 7.7535 120.0024 57.8292 41.1756 179.8026 77 K 3.9720 7.6772 117.0091 58.6987 32.2476 178.6857 78 K 3.9506 7.8801 117.6312 55.8439 32.6746 176.5684 79 K 2.0000 8.1887 118.5722 56.3393 29.8909 174.5347 80 G 4.0339 7.8032 105.5750 45.9891 0.0000 174.0142 81 H 4.5046 7.5694 118.6504 54.9315 27.3250 174.7400 82 H 5.5233 7.3532 111.6013 54.2519 29.8386 176.2642 83 E 3.9202 8.6058 122.3818 60.1882 29.0507 178.5371 84 A 4.0337 7.9620 118.6202 55.3066 17.6990 178.9028 85 E 4.1387 8.1284 116.3435 58.9374 29.7090 178.8741 86 L 4.2371 8.5242 121.1024 57.5890 42.2490 178.7621 87 K 3.8945 8.1142 118.7383 59.2789 32.1904 177.3419 88 P 4.3095 0.0000 0.0000 65.5668 31.3299 178.6911 89 L 4.1055 7.5568 114.6421 57.7468 41.6076 179.3834 90 A 4.3184 8.3419 120.8599 55.4408 18.2457 179.7260 91 Q 3.9872 8.1359 116.2039 59.0348 28.6410 179.2483 92 S 4.0873 8.0959 115.8706 61.6357 62.9867 176.8466 93 G 3.7849 8.7086 108.3156 45.7662 0.0000 174.5522 94 A 3.1641 7.5891 120.8681 51.9596 20.6105 177.1574 95 T 4.2328 8.0239 114.3959 63.8209 70.9632 175.7535 96 K 4.3390 7.8105 120.6662 54.9357 33.8415 180.9330 97 H 4.7719 7.8569 112.5820 54.2379 31.0809 173.5816 98 K 3.0257 7.5111 117.5552 56.9064 28.5159 174.6710 99 I 4.2883 8.2803 118.7844 58.4878 38.0321 174.6468 100 P 4.6174 0.0000 0.0000 62.2278 32.1233 177.5713 101 I 3.7007 8.3265 121.2443 64.6226 36.9196 178.5493 102 K 3.9247 7.8540 121.1897 59.1782 31.8137 178.2614 103 Y 4.1246 7.9551 116.7890 60.9273 37.7590 178.2793 104 L 4.1921 7.8954 119.4618 57.4577 41.3585 179.2223 105 E 4.0427 8.1987 119.0652 59.2444 29.4504 179.0324 106 F 4.5752 7.9578 117.8577 60.9828 39.0015 177.7208 107 I 3.8924 8.3589 118.1273 63.9735 37.7157 178.1241 108 S 4.2448 8.2371 116.5168 61.4675 62.5565 176.3458 109 E 4.0558 8.6998 121.3831 59.4147 29.1769 179.2049 110 A 4.0271 8.2082 120.7484 55.1519 18.3323 179.6799 111 I 3.6702 8.0655 118.3400 64.7292 37.2937 178.6069 112 I 3.8586 7.9935 120.5362 64.6828 36.9808 177.8598 113 H 4.1426 8.5954 119.1897 59.4789 29.7214 177.4641 114 V 3.5455 8.0599 120.0761 65.8888 31.2489 177.9086 115 L 3.7915 8.0566 118.9984 58.0557 41.1210 179.0629 116 H 4.4353 8.1374 116.9929 59.3767 29.8815 177.2285 117 S 4.1707 8.0044 116.3803 61.1244 62.7158 176.0719 118 R 4.1883 7.8685 119.0451 56.8034 31.8278 176.3497 119 H 4.9992 8.1609 115.2841 53.5890 29.8868 172.3596 120 P 4.2353 0.0000 0.0000 65.7781 31.8067 179.9185 121 G 3.7187 8.1934 104.7273 47.9244 0.0000 173.7154 122 D 5.0024 7.9352 117.3480 53.9760 41.7354 176.6717 123 F 5.0815 7.9808 119.4880 56.2496 39.7792 174.2887 124 G 3.9507 7.5847 109.8831 43.8863 0.0000 171.1921 125 A 3.8659 8.5417 121.0466 55.6959 18.3932 179.8844 126 D 4.2285 7.9704 116.2541 57.4137 40.9710 178.8320 127 A 3.9840 7.7585 120.7808 55.1623 18.4731 179.5040 128 Q 3.1865 8.1164 117.0175 58.6562 28.7001 179.2621 129 G 3.5276 7.9705 106.4697 47.6550 0.0000 175.5900 130 A 3.8486 7.7890 123.1614 55.0614 18.3554 179.3869 131 M 4.0288 8.1060 116.7234 58.8870 32.3294 178.1227 132 N 4.3771 8.3538 116.6620 56.3699 38.7467 177.5825 133 K 4.1026 8.1258 119.6255 59.2325 32.1041 179.3428 134 A 3.8955 8.1230 121.3538 55.2326 18.2566 179.7782 135 L 4.1566 8.3148 117.8221 57.9315 41.6513 179.6101 136 E 3.9905 8.4617 118.8074 59.0942 29.2596 179.1253 137 L 3.9626 8.1102 120.5005 58.0343 42.2324 178.6200 138 F 4.1800 8.3872 120.5807 61.6855 39.3211 177.4108 139 R 3.4275 8.2429 117.6880 58.6604 29.6363 179.0904 140 K 3.8116 8.0930 119.5994 59.6847 32.3239 178.7812 141 D 4.3148 8.2464 119.4746 57.2283 40.6428 178.5757 142 I 3.4822 7.5278 118.9539 63.4607 37.8163 177.7933 143 A 3.6541 7.5779 121.7673 54.8571 18.2728 179.4685 144 A 3.9552 7.6913 119.1938 55.1436 18.4931 180.0889 145 K 3.9895 7.7926 116.6579 59.5966 31.9659 178.9646 146 Y 4.5002 8.3394 117.5291 61.4218 37.8309 179.0603 147 K 4.1748 8.1892 119.0381 59.7038 31.9569 179.2014 148 E 4.0459 7.9542 117.2513 59.1868 29.4614 178.6582 149 L 4.3827 7.6383 116.0903 55.0438 42.0397 177.6582 150 G 3.9233 8.4187 108.0641 45.1441 0.0000 172.3349 151 Y 4.7255 7.9557 120.8652 56.0528 39.6900 175.1370 152 Q 4.3084 8.3706 125.7138 55.5293 29.4017 175.9717 153 G 2.9494 5.4980 113.5714 45.6493 0.0000 173.9161 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.05 4.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.98 0.00 0.00 2 L 7.66 4.43 0.00 0.91 0.65 0.60 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.63 4.52 0.00 4.08 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.85 4.26 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 5 G 8.09 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.89 3.93 0.00 1.87 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 7 W 8.07 4.37 0.00 3.58 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.39 4.18 0.00 2.35 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.77 0.00 9 L 7.89 4.10 0.00 1.86 1.78 0.93 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.93 3.75 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.93 0.00 0.00 11 L 8.62 4.27 0.00 1.82 1.81 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.31 4.20 0.00 3.30 3.64 0.00 5.95 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.95 3.71 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.79 0.00 0.00 14 W 8.52 3.84 0.00 3.69 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.83 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.69 3.92 0.00 1.58 1.41 0.00 1.61 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.42 1.38 7.81 17 V 6.97 2.78 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.20 0.00 0.00 18 E 7.56 3.91 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 19 A 7.41 4.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 7.75 4.63 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.88 3.43 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.84 0.00 0.00 22 A 8.05 4.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.49 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.33 4.16 0.00 3.23 3.23 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.36 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.99 3.90 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.57 0.00 27 D 7.90 4.32 0.00 2.63 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.82 3.64 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 0.90 0.00 0.00 29 L 7.71 3.48 0.00 1.44 1.10 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.72 3.63 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.89 0.00 0.00 31 R 8.09 3.81 0.00 1.93 2.09 0.00 3.03 0.00 0.00 2.96 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 32 L 7.74 3.87 0.00 1.75 1.38 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.78 4.58 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.86 3.99 0.00 2.14 1.79 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.35 7.81 35 S 8.01 4.29 0.00 3.73 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.06 4.70 0.00 3.02 2.73 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.83 0.00 2.27 2.34 0.00 3.81 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.89 0.00 38 E 8.25 4.11 0.00 2.33 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 39 T 8.00 3.77 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 40 L 7.97 3.81 0.00 1.52 1.78 -0.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.82 4.25 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 42 K 7.89 4.33 0.00 1.58 1.35 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.18 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.84 7.81 43 F 7.85 4.52 0.00 3.03 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.68 4.35 0.00 2.62 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.81 4.26 0.00 1.61 2.11 0.00 3.15 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 46 F 7.64 5.24 0.00 2.99 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.21 4.53 0.00 1.80 1.79 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.38 1.35 7.81 48 H 8.35 4.62 0.00 3.29 3.41 0.00 5.51 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.07 4.53 0.00 1.57 1.56 0.65 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.24 4.23 0.00 1.69 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.51 7.81 51 T 7.34 4.68 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.55 3.89 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 53 A 7.93 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.16 3.90 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 55 M 7.77 3.97 0.00 1.94 2.21 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.49 0.00 56 K 8.03 4.06 0.00 1.69 1.82 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.59 7.81 57 A 7.65 4.32 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.36 4.15 0.00 3.85 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.80 4.02 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 60 D 8.05 4.40 0.00 2.92 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.78 3.60 0.00 0.97 1.48 0.62 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.92 3.89 0.00 1.95 1.94 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.45 3.98 0.00 2.08 1.92 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.78 7.81 64 H 8.60 4.41 0.00 3.54 3.70 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.28 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.76 3.61 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 67 T 8.01 3.90 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 68 V 7.95 3.61 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.87 0.00 0.00 69 L 8.23 4.25 0.00 1.79 1.89 0.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.54 3.94 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 71 A 7.96 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.03 3.65 0.00 1.58 1.75 0.25 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.74 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.68 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 7.43 3.76 1.82 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.99 0.89 0.00 0.00 76 L 7.75 3.98 0.00 1.32 1.56 -0.14 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.68 3.97 0.00 1.80 1.80 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.54 7.81 78 K 7.88 3.95 0.00 1.79 1.85 0.00 1.76 0.00 0.00 1.55 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.64 1.73 7.81 79 K 8.19 2.00 0.00 1.14 0.74 0.00 1.48 0.00 0.00 1.39 0.00 0.00 2.70 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.42 0.87 7.81 80 G 7.80 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.57 4.50 0.00 3.11 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.35 5.52 0.00 3.26 3.44 0.00 5.66 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.61 3.92 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 84 A 7.96 4.03 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.13 4.14 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 86 L 8.52 4.24 0.00 1.98 1.67 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.11 3.89 0.00 1.88 1.89 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.68 7.81 88 P 0.00 4.31 0.00 2.19 2.13 0.00 3.76 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 89 L 7.56 4.11 0.00 1.96 1.88 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.34 4.32 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.14 3.99 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 92 S 8.10 4.09 0.00 4.12 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.71 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.59 3.16 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.02 4.23 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 96 K 7.81 4.34 0.00 1.74 1.68 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 0.99 7.81 97 H 7.86 4.77 0.00 3.03 3.20 0.00 5.78 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.51 3.03 0.00 1.73 1.65 0.00 1.35 0.00 0.00 0.79 0.00 0.00 2.64 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.08 1.21 7.81 99 I 8.28 4.29 2.07 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.98 1.17 0.00 0.00 100 P 0.00 4.62 0.00 2.01 2.01 0.00 3.26 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.26 0.00 101 I 8.33 3.70 1.81 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.81 0.82 0.00 0.00 102 K 7.85 3.92 0.00 1.66 1.61 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.67 1.07 7.81 103 Y 7.96 4.12 0.00 3.20 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.90 4.19 0.00 1.88 1.85 0.80 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.20 4.04 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 106 F 7.96 4.58 0.00 3.28 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.36 3.89 2.03 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 1.12 0.00 0.00 108 S 8.24 4.24 0.00 4.25 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.70 4.06 0.00 2.36 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 110 A 8.21 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.07 3.67 2.15 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.87 1.06 0.00 0.00 112 I 7.99 3.86 2.17 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.21 1.15 0.00 0.00 113 H 8.60 4.14 0.00 3.36 3.53 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.06 3.55 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.98 0.00 0.00 115 L 8.06 3.79 0.00 1.04 0.52 0.59 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.14 4.44 0.00 3.44 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.00 4.17 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 R 7.87 4.19 0.00 1.41 1.59 0.00 3.04 0.00 0.00 2.88 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 119 H 8.16 5.00 0.00 3.18 3.18 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.24 0.00 2.15 2.04 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.19 0.00 121 G 8.19 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 7.94 5.00 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.98 5.08 0.00 3.03 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.58 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.54 3.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.97 4.23 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.76 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 8.12 3.19 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.23 1.86 0.00 129 G 7.97 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.79 3.85 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 M 8.11 4.03 0.00 2.47 2.46 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.92 0.00 132 N 8.35 4.38 0.00 3.08 2.85 0.00 0.00 7.04 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 8.13 4.10 0.00 1.80 1.69 0.00 1.53 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.57 7.81 134 A 8.12 3.90 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.31 4.16 0.00 1.78 1.86 1.03 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.46 3.99 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 137 L 8.11 3.96 0.00 1.91 2.02 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.39 4.18 0.00 3.09 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.24 3.43 0.00 1.82 1.82 0.00 3.17 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.98 0.00 140 K 8.09 3.81 0.00 1.85 1.93 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.44 7.81 141 D 8.25 4.31 0.00 2.68 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.53 3.48 1.22 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 1.24 0.17 0.00 0.00 143 A 7.58 3.65 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.69 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 K 7.79 3.99 0.00 1.93 1.91 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.60 7.81 146 Y 8.34 4.50 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.19 4.17 0.00 1.98 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.68 7.81 148 E 7.95 4.05 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.67 0.00 149 L 7.64 4.38 0.00 1.86 1.73 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.42 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.96 4.73 0.00 2.64 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 Q 8.37 4.31 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 153 G 5.50 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00